SCHEMBL22867141

SCHEMBL22867141

C=CCc1c(C(=O)OC)cc(F)cc1-c1ccnc(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 5/20 0.41
▸ CYP46A1 Q9Y6A2 1/20 0.39
▸ PLCG1 P19174 3/20 0.36
▸ NR4A2 P43354 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ ACVR2A P27037 3/20 0.36
▸ TGFBR1 P36897 3/20 0.36
▸ EGLN1 Q9GZT9 2/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ TGFBR2 P37173 2/20 0.35
▸ CNR1 P21554 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22867009 0.92 NLRP3 (0.36) NLRP3CYP46A1PLCG1EGLN1
SCHEMBL22866621 0.80 CYP46A1 (0.40) NLRP3CYP46A1NR4A2DHODHPDE3B
SCHEMBL25281510 0.80 CNR1 (0.43) NLRP3CYP46A1NR4A2DHODHPDE3B
SCHEMBL22867010 0.80 ACVR2A (0.39) NLRP3PLCG1PDE3BPDE3APTGDR2
SCHEMBL22867183 0.78 NLRP3 (0.37) NLRP3PDE3BPDE3AACVR2ATGFBR1
SCHEMBL22717203 0.71 CYP46A1 (0.44) CYP46A1NR4A2DHODHPDE3BPDE3A
SCHEMBL22866864 0.71 PTGDR2 (0.45) NLRP3NR4A2DHODHPDE3BPDE3A
SCHEMBL22717172 0.70 NR4A2 (0.40) NLRP3CYP46A1NR4A2DHODHPDE3B
SCHEMBL22774290 0.70 NLRP3 (0.58) NLRP3NR4A2DHODHPTGDR2ACVR2A
SCHEMBL29691524 0.70 NLRP3 (0.58) NLRP3NR4A2DHODHPTGDR2ACVR2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210002274-A1 NOVEL COMPOUNDS INFLAZOME LIMITED (IE) 2021-01-07 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210002274-A1 NOVEL COMPOUNDS NLRP3, NOD1, NLRP1 NLRP3 1/4885CYP46A1 352/4885PLCG1 4533/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback